1-methylazepan-2-imine tetrafluoroborate

C7H14BF4N2- — CID 88825641

IUPAC1-methylazepan-2-imine tetrafluoroborate
SMILESF[B-](F)(F)F.[H]/N=C1\CCCCCN1C
InChIInChI=1S/C7H14N2.BF4/c1-9-6-4-2-3-5-7(9)8;2-1(3,4)5/h8H,2-6H2,1H3;/q;-1/b8-7+;
InChIKeyRVCJSZUEOWFWNJ-USRGLUTNSA-N
MW213.01 g/mol
LogP2.77
Rot. Bonds

About 1-methylazepan-2-imine tetrafluoroborate

1-methylazepan-2-imine tetrafluoroborate (PubChem CID 88825641) has the molecular formula C7H14BF4N2- and a molecular weight of 213.01 g/mol. Its IUPAC name is 1-methylazepan-2-imine tetrafluoroborate.

Molecular Properties

Compound Name1-methylazepan-2-imine tetrafluoroborate
PubChem CID88825641
Molecular FormulaC7H14BF4N2-
Molecular Weight213.01 g/mol
Exact Mass213.12
IUPAC Name1-methylazepan-2-imine tetrafluoroborate
SMILESF[B-](F)(F)F.[H]/N=C1\CCCCCN1C
InChIInChI=1S/C7H14N2.BF4/c1-9-6-4-2-3-5-7(9)8;2-1(3,4)5/h8H,2-6H2,1H3;/q;-1/b8-7+;
InChIKeyRVCJSZUEOWFWNJ-USRGLUTNSA-N
XLogP2.77
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.01
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylazepan-2-imine tetrafluoroborate?
The IUPAC name of 1-methylazepan-2-imine tetrafluoroborate (CID 88825641) is 1-methylazepan-2-imine tetrafluoroborate.
What is the SMILES notation for 1-methylazepan-2-imine tetrafluoroborate?
The canonical SMILES for 1-methylazepan-2-imine tetrafluoroborate is F[B-](F)(F)F.[H]/N=C1\CCCCCN1C.
What is the InChIKey of 1-methylazepan-2-imine tetrafluoroborate?
The InChIKey is RVCJSZUEOWFWNJ-USRGLUTNSA-N. The full InChI is InChI=1S/C7H14N2.BF4/c1-9-6-4-2-3-5-7(9)8;2-1(3,4)5/h8H,2-6H2,1H3;/q;-1/b8-7+;.
What are the key properties of 1-methylazepan-2-imine tetrafluoroborate?
1-methylazepan-2-imine tetrafluoroborate has a molecular weight of 213.01 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepan-2-imine tetrafluoroborate is sourced from PubChem (CID 88825641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).